Molecular Properties | |
SMILES: | ON(Cc1cccnc1)c1cnc(CCl)[nH]1 |
MW: | 238.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 65.04 |
cLogP: | 1.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
Filter6_benzyl_halide
acyclic NO not nitro
Alkyl Halide
Nitrosone_not_nitro
MAR-TRE-87acfbcc-17
0.530
MAR-TRE-85681e92-95
0.500
MAR-TRE-423310b6-43
0.484
MAR-TRE-87acfbcc-76
0.429
MAR-TRE-87acfbcc-39
0.397
MAR-TRE-87acfbcc-96
0.371
MAR-TRE-87acfbcc-31
0.351
MAR-TRE-87acfbcc-26
0.350
MAR-TRE-87acfbcc-52
0.343
MAR-TRE-87acfbcc-92
0.338
MAR-TRE-87acfbcc-6
0.333
MAR-TRE-87acfbcc-69
0.323
MAR-TRE-87acfbcc-24
0.306
MAR-TRE-87acfbcc-68
0.304
MAR-TRE-423310b6-46
0.300
MIC-SGC-657978c3-4
0.300
MAR-TRE-87acfbcc-30
0.299
MIC-SGC-657978c3-2
0.295
MIC-SGC-657978c3-3
0.293
MAR-TRE-87acfbcc-82
0.292
MAR-TRE-87acfbcc-27
0.292
MIC-SGC-657978c3-1
0.291
MAR-TRE-87acfbcc-64
0.288
MAR-TRE-c8530538-54
0.287
SAD-SAT-29425be4-27
0.287
MAR-TRE-87acfbcc-77
0.286
DRR-IMP-38dce17f-4
0.286
MAR-TRE-c8530538-92
0.284
BEN-BAS-d50bea19-1
0.284
MAR-TRE-87acfbcc-3
0.280
MAR-TRE-87acfbcc-74
0.280
ANT-DIA-b7f58f21-1
0.277
MAR-TRE-4f781e27-29
0.276
BEN-DND-61647d40-17
0.276
MAR-TRE-d3c2bf0e-55
0.273
MAR-TRE-0fda4e82-32
0.271
BAR-COM-4e090d3a-69
0.267
JAR-KUA-8c13982c-9
0.267
MAT-POS-b5746674-1
0.266
BEN-DND-61647d40-7
0.266
MAR-TRE-85681e92-79
0.266
MAR-TRE-87acfbcc-1
0.264
MAR-TRE-87acfbcc-50
0.264
MAR-TRE-87acfbcc-40
0.262
BEN-DND-61647d40-8
0.260
MAR-TRE-87acfbcc-23
0.259
NAU-LAT-64f4b287-9
0.257
MAR-TRE-87acfbcc-98
0.257
SAD-SAT-24589cd1-4
0.257
BRU-THA-92256091-11
0.255
STE-UNK-dfade101-1
0.254
MAR-TRE-87acfbcc-71
0.254
SIM-SYN-3099a863-3
0.250
MAR-TRE-87acfbcc-10
0.250
MAR-TRE-87acfbcc-36
0.250
MAR-TRE-4f781e27-34
0.250
MIC-UNK-5ce21166-1
0.250
MAK-UNK-ca11b4f7-1
0.250
DAV-CRI-1c77f7a9-5
0.247
PET-UNK-55f647aa-3
0.247
MAR-TRE-87acfbcc-75
0.247
BEN-DND-61647d40-18
0.247
SAD-SAT-b55127ae-4
0.247
ALP-POS-e980f4ea-7
0.245
DAV-CRI-1c77f7a9-8
0.245
MAR-TRE-c8530538-64
0.244
MAR-TRE-c8530538-66
0.244
MAR-TRE-c8530538-17
0.244
MAR-TRE-9d18ae8c-35
0.244
DAR-DIA-23aa0b97-4
0.244
MAR-TRE-d0525fbf-91
0.244
DAR-DIA-23aa0b97-6
0.244
MAR-TRE-87acfbcc-93
0.243
MAR-TRE-87acfbcc-90
0.242
MAK-UNK-2c1752f0-2
0.242
THO-SYG-f9b2970d-4
0.241
MAR-TRE-87acfbcc-14
0.240
MAR-TRE-87acfbcc-28
0.240
DAR-DIA-53551c05-5
0.240
MAR-TRE-87acfbcc-49
0.239
DAV-CRI-1c77f7a9-1
0.239
MAR-TRE-87acfbcc-79
0.239
IAN-BAS-5ff43d1c-1
0.239
SER-UNI-985a0e14-2
0.238
ALP-POS-ced8ea4d-7
0.238
MAR-TRE-2fd8122f-69
0.237
GAB-REV-70cc3ca5-13
0.237
ANT-DIA-3c79be55-2
0.237
MAR-TRE-423310b6-84
0.237
BAR-COM-4e090d3a-47
0.237
MAR-TRE-87acfbcc-12
0.235
BAR-COM-4e090d3a-55
0.235
MAR-TRE-36bf7dba-55
0.235
MAR-TRE-04c86cea-80
0.234
MAR-TRE-87acfbcc-35
0.234
MAR-TRE-c8530538-63
0.232
MAK-UNK-ca11b4f7-4
0.232
MAR-TRE-87acfbcc-86
0.232
MAR-TRE-87acfbcc-41
0.232
PET-UNK-e8c7a26f-2
0.232